ethyl 4-[[3-[2,3-bis(azanyl)phenoxy]-3-oxidanyl-propyl]-piperidin-4-yl-amino]benzoate

Systemtic Name: ethyl 4-[[3-[2,3-bis(azanyl)phenoxy]-3-oxidanyl-propyl]-piperidin-4-yl-amino]benzoate Openeye Name: ethyl 4-[[3-(2,3-diaminophenoxy)-3-hydroxy-propyl]-(4-piperidyl)amino]benzoate CAS Name: 4-[[3-(2,3-diaminophenoxy)-3-hydroxypropyl]-(4-piperidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[3-(2,3-diaminophenoxy)-3-hydroxypropyl]-piperidin-4-ylamino]benzoate Traditional Name: 4-[[3-(2,3-diaminophenoxy)-3-hydroxy-propyl]-(4-piperidyl)amino]benzoic acid ethyl ester Formula: C23H32N4O4 MolecularWeight: 428.52458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N(CCC(O)OC2=CC=CC(=C2N)N)C3CCNCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N(CCC(O)OC2=CC=CC(=C2N)N)C3CCNCC3

InChI

InChI=1S/C23H32N4O4/c1-2-30-23(29)16-6-8-17(9-7-16)27(18-10-13-26-14-11-18)15-12-21(28)31-20-5-3-4-19(24)22(20)25/h3-9,18,21,26,28H,2,10-15,24-25H2,1H3